3-[(2-hydroxycyclohexyl)methylsulfamoyl]propanoic acid

C10H19NO5S — CID 64929072

IUPAC3-[(2-hydroxycyclohexyl)methylsulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)NCC1CCCCC1O
InChIInChI=1S/C10H19NO5S/c12-9-4-2-1-3-8(9)7-11-17(15,16)6-5-10(13)14/h8-9,11-12H,1-7H2,(H,13,14)
InChIKeyCXKFBDQGOAWWNX-UHFFFAOYSA-N
MW265.33 g/mol
LogP-0.07
Rot. Bonds6

About 3-[(2-hydroxycyclohexyl)methylsulfamoyl]propanoic acid

3-[(2-hydroxycyclohexyl)methylsulfamoyl]propanoic acid (PubChem CID 64929072) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is 3-[(2-hydroxycyclohexyl)methylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[(2-hydroxycyclohexyl)methylsulfamoyl]propanoic acid
PubChem CID64929072
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name3-[(2-hydroxycyclohexyl)methylsulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)NCC1CCCCC1O
InChIInChI=1S/C10H19NO5S/c12-9-4-2-1-3-8(9)7-11-17(15,16)6-5-10(13)14/h8-9,11-12H,1-7H2,(H,13,14)
InChIKeyCXKFBDQGOAWWNX-UHFFFAOYSA-N
XLogP-0.07
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-hydroxycyclohexyl)methyl]-2-methylsulfonylethanesulfonamide
CID 64911395
3-chloro-N-[(2-hydroxycyclohexyl)methyl]propane-1-sulfonamide
CID 64912535
4-chloro-N-[(2-hydroxycyclohexyl)methyl]butane-1-sulfonamide
CID 116816252
N-[(2-hydroxycyclohexyl)methyl]-2-methoxyethanesulfonamide
CID 64913483
3-(cyclobutylmethylsulfamoyl)propanoic acid
CID 43298604
N-[(2-hydroxycyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 103697972
N-[(2-hydroxycyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79593790
N-[(2-hydroxycyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide
CID 82843046
2-[[(methylsulfonimidoyl)amino]methyl]cyclohexan-1-ol
CID 164656075
3-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]propanoic acid
CID 81039371
1-hydroxy-2-[(sulfamoylamino)methyl]cyclopentane
CID 112695783
1-[(dipropylsulfamoylamino)methyl]-2-hydroxycyclohexane
CID 64912245

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxycyclohexyl)methylsulfamoyl]propanoic acid?
The IUPAC name of 3-[(2-hydroxycyclohexyl)methylsulfamoyl]propanoic acid (CID 64929072) is 3-[(2-hydroxycyclohexyl)methylsulfamoyl]propanoic acid.
What is the SMILES notation for 3-[(2-hydroxycyclohexyl)methylsulfamoyl]propanoic acid?
The canonical SMILES for 3-[(2-hydroxycyclohexyl)methylsulfamoyl]propanoic acid is O=C(O)CCS(=O)(=O)NCC1CCCCC1O.
What is the InChIKey of 3-[(2-hydroxycyclohexyl)methylsulfamoyl]propanoic acid?
The InChIKey is CXKFBDQGOAWWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c12-9-4-2-1-3-8(9)7-11-17(15,16)6-5-10(13)14/h8-9,11-12H,1-7H2,(H,13,14).
What are the key properties of 3-[(2-hydroxycyclohexyl)methylsulfamoyl]propanoic acid?
3-[(2-hydroxycyclohexyl)methylsulfamoyl]propanoic acid has a molecular weight of 265.33 g/mol, XLogP of -0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxycyclohexyl)methylsulfamoyl]propanoic acid is sourced from PubChem (CID 64929072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).